6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one

C20H18ClN3O2 — CID 139421486

IUPAC6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one
SMILESCc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CCO2
InChIInChI=1S/C20H18ClN3O2/c1-13-15(21)8-5-9-16(13)22-20-23-18(25)12-19-24(20)17(10-11-26-19)14-6-3-2-4-7-14/h2-9,12,17H,10-11H2,1H3,(H,22,23,25)
InChIKeyJGHGOFLCSRHBNY-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.32
Rot. Bonds3

About 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one

6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one (PubChem CID 139421486) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one.

Molecular Properties

Compound Name6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one
PubChem CID139421486
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one
SMILESCc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CCO2
InChIInChI=1S/C20H18ClN3O2/c1-13-15(21)8-5-9-16(13)22-20-23-18(25)12-19-24(20)17(10-11-26-19)14-6-3-2-4-7-14/h2-9,12,17H,10-11H2,1H3,(H,22,23,25)
InChIKeyJGHGOFLCSRHBNY-UHFFFAOYSA-N
XLogP4.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one
CID 139421296
5-(3-Chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one
CID 139421463
1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421645
1-Benzyl-2-(3-chloro-2-methylanilino)pyrimidin-4-one
CID 134290143
1-Benzyl-2-(3-chloro-2-methylanilino)-5-methylpyrimidin-4-one
CID 134290149
1-benzyl-2-(3-chloro-2-methylanilino)-N-(oxan-4-yl)-4-oxopyrimidine-5-carboxamide
CID 134290205
2-(3-Chloro-2-methylanilino)-1-[(2-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290248
1-Benzyl-2-(3-chloro-2-methylanilino)-5-ethoxypyrimidin-4-one
CID 134290261
2-(3-Chloro-2-methylanilino)-1-(2-phenylethyl)pyrimidin-4-one
CID 134290296
2-(3-Chloro-2-methylanilino)-5-methoxy-1-(3-phenylpropyl)pyrimidin-4-one
CID 134290324
1-Benzyl-2-(3-chloro-2-methylanilino)-5-propan-2-yloxypyrimidin-4-one
CID 134290336
2-(3-Chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one
CID 134290373

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one?
The IUPAC name of 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one (CID 139421486) is 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one.
What is the SMILES notation for 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one?
The canonical SMILES for 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one is Cc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CCO2.
What is the InChIKey of 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one?
The InChIKey is JGHGOFLCSRHBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-15(21)8-5-9-16(13)22-20-23-18(25)12-19-24(20)17(10-11-26-19)14-6-3-2-4-7-14/h2-9,12,17H,10-11H2,1H3,(H,22,23,25).
What are the key properties of 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one?
6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one has a molecular weight of 367.84 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one is sourced from PubChem (CID 139421486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).